SCHEMBL497739

SCHEMBL497739

C=CCN1CC(=O)NC1=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 1/20 0.35
CNR1 P21554 2/20 0.35
POLB P06746 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
PKM P14618 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
MCL1 Q07820 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2143430 0.82 CYP3A4 (0.39) MAPTL3MBTL1CYP3A4CNR1POLB
SCHEMBL498094 0.80 ALDH1A1 (0.36) MAPTL3MBTL1CNR1POLBMEN1
Formaldehyde SCHEMBL8154211 0.80 CYP3A4 (0.38) MAPTL3MBTL1CYP3A4POLBKMT2A
Bromide SCHEMBL27540325 0.78 CYP3A4 (0.37) CYP3A4POLBGAALMNANPSR1
SCHEMBL25419774 0.77 CYP3A4 (0.35) CYP3A4POLBGAALMNANPSR1
SCHEMBL497275 0.77 CYP3A4 (0.35) L3MBTL1CYP3A4POLBMEN1KMT2A
SCHEMBL28402591 0.74
SCHEMBL10653236 0.74
SCHEMBL5955059 0.73 ACHE (0.30)
SCHEMBL18814744 0.71 CRBN (0.35) MEN1KMT2ACRBN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106214-B2 2-imino-4-(thio) oxo-5-polycyclovinylazolines for use as PI3 kinase inhibitors MERCK SERONO SA (CH) 2012-01-31 US disclosed
US-7919630-B2 Synthesis of imidazole 2-thiones via thiohydantoins ALLERGAN, INC. (US) 2011-04-05 US disclosed
EP-1648452-B1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS MERCK SERONO SA (CH) 2009-07-22 EP disclosed
US-7435713-B2 Compositions and methods for removal of incidental soils from fabric articles via soil modification THE PROCTER & GAMBLE COMPANY (US) 2008-10-14 US disclosed
US-20070203344-A1 SYNTHESIS OF IMIDAZOLE 2-THIONES VIA THIOHYDANTOINS ALLERGAN, INC. 2007-08-30 US disclosed
WO-2007041048-A2 SYNTHESIS OF IMIDAZOLE-2-THIONES VIA THIOHYDANTOINS ALLERGAN, INC. (US) 2007-04-12 WO disclosed
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-01-25 US disclosed
EP-1451403-B1 COMPOSITIONS AND METHODS FOR REMOVAL OF INCIDENTAL SOILS FROM FABRIC ARTICLES VIA SOIL MODIFICATION PROCTER & GAMBLE (US) 2006-10-04 EP disclosed
EP-1648452-A1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2006-04-26 EP disclosed
US-20050137108-A1 Compositions and methods for removal of incidental soils from fabric articles via soil modification THE PROCTER & GAMBLE COMPANY 2005-06-23 US disclosed
WO-2005011686-A1 2-IMINO-4-(THIO) OXO-5-POLY CYCLOVINYLAZOLINES FOR USE AS P13 KINASE IHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO disclosed
EP-1451403-A1 COMPOSITIONS AND METHODS FOR REMOVAL OF INCIDENTAL SOILS FROM FABRIC ARTICLES VIA SOIL MODIFICATION THE PROCTER & GAMBLE COMPANY (US) 2004-09-01 EP disclosed
WO-2003050344-A1 COMPOSITIONS AND METHODS FOR REMOVAL OF INCIDENTAL SOILS FROM FABRIC ARTICLES VIA SOIL MODIFICATION THE PROCTER & GAMBLE COMPANY (US) 2003-06-19 WO disclosed
US-5717075-A FORMED BY REACTING MEMBRANE THAT HAS BOUND CARBOXYLIC ACID GROUPS WITH 2-ETHYL-5'-PHENYLISOXAZOLIUM SULFONATE THE PERKIN-ELMER CORPORATION (US) 1998-02-10 US disclosed
EP-0677058-A4 SUPPORT AND METHOD FOR IMMOBILIZING POLYPEPTIDES. APPLIED BIOSYSTEMS (US) 1997-09-24 EP disclosed
US-5602207-A A POLYVINYLIDENE FLUORIDE MEMBRANE HAVING SURFACE-ATTACHED ENOL ESTER GROUPS AND SURFACE ATTACHED SULFONATE GROUPS THE PERKIN-ELMER CORPORATION (US) 1997-02-11 US disclosed
EP-0677058-A1 SUPPORT AND METHOD FOR IMMOBILIZING POLYPEPTIDES THE PERKIN-ELMER CORPORATION (US) 1995-10-18 EP disclosed
WO-1994015948-A1 SUPPORT AND METHOD FOR IMMOBILIZING POLYPEPTIDES APPLIED BIOSYSTEMS, INC. (US) 1994-07-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors PI4K2B, PI4KA, PTK2B MAPT 3683/4885L3MBTL1 1438/4885CYP3A4 1956/4885
US-20070203344-A1 SYNTHESIS OF IMIDAZOLE 2-THIONES VIA THIOHYDANTOINS TPMT, NISCH, IMPDH2 MAPT 1647/4885L3MBTL1 3762/4885CYP3A4 124/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.